Sugi Predict

Sugi Predict / Compounds / SCHEMBL3529304

SCHEMBL3529304

SCHEMBL3529304

Cc1cccc([C@H](C)c2nccn2C(=O)OCCc2ccccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL698721 0.94 LMNA (0.38) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL698934 0.93 CHRM2 (0.33) GRIN2BADORA3HTR2AHTR7OPRM1
SCHEMBL697839 0.91 FPR2 (0.35) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL3532613 0.91 ALOX5 (0.36) GRIN2BFFAR1POLBLNPEPLMNA
SCHEMBL3525398 0.90 CHRM5 (0.36) GRIN2BTDP1POLBLMNAMAPT
SCHEMBL697760 0.89 L3MBTL1 (0.38) GRIN2BP2RX4TDP1FFAR1LMNA
SCHEMBL723425 0.89 NPC1 (0.33) GRIN2BADORA3HTR2AHTR7OPRM1
SCHEMBL723424 0.89 NPC1 (0.33) GRIN2BADORA3HTR2AHTR7OPRM1
SCHEMBL3531096 0.88 CES2 (0.38) PPARGPPARDPPARA
SCHEMBL703068 0.88 ALDH1A1 (0.33) HTR7TDP1CYP1A2CYP3A4POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ADORA3 1736/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ADORA3 1736/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ADORA3 1736/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GRIN2B 3622/4885P2RX4 710/4885ADORA3 1736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.